tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

C123H135ClN36O12S4 — CID 165075715

IUPACtert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1nc2c(N3CCOCC3)nc(Cl)cc2s1.COc1ccncc1-c1cc2[nH]ncc2c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C(=O)OC(C)(C)C)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C33H37N9O4S.C29H31N9O2S.C28H29N9O2S.C20H26ClN5O3S.C13H12N4O/c1-19-22-16-35-42(25(22)13-24(36-19)23-15-34-7-6-26(23)44-5)28-14-27-29(30(37-28)39-8-10-45-11-9-39)38-31(47-27)40-17-21-12-20(40)18-41(21)32(43)46-33(2,3)4;1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2;1-16-19-14-31-37(22(19)10-21(32-16)20-13-29-4-3-23(20)38-2)25-11-24-26(27(33-25)35-5-7-39-8-6-35)34-28(40-24)36-15-17-9-18(36)12-30-17;1-20(2,3)29-19(27)26-11-12-8-13(26)10-25(12)18-23-16-14(30-18)9-15(21)22-17(16)24-4-6-28-7-5-24;1-8-9-7-15-17-12(9)5-11(16-8)10-6-14-4-3-13(10)18-2/h6-7,13-16,20-21H,8-12,17-18H2,1-5H3;4-5,11-14,18-19H,6-10,15-16H2,1-3H3;3-4,10-11,13-14,17-18,30H,5-9,12,15H2,1-2H3;9,12-13H,4-8,10-11H2,1-3H3;3-7H,1-2H3,(H,15,17)/t20-,21-;18-,19-;17-,18-;12-,13-;/m1111./s1
InChIKeyUGPWMWADEAPXTH-CZZZRGPBSA-N
MW2473.39 g/mol
LogP17.28
Rot. Bonds19

About tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine

tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 165075715) has the molecular formula C123H135ClN36O12S4 and a molecular weight of 2473.39 g/mol. Its IUPAC name is tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Nametert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
PubChem CID165075715
Molecular FormulaC123H135ClN36O12S4
Molecular Weight2473.39 g/mol
Exact Mass2470.96
IUPAC Nametert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine
SMILESCC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1nc2c(N3CCOCC3)nc(Cl)cc2s1.COc1ccncc1-c1cc2[nH]ncc2c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C(=O)OC(C)(C)C)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1
InChIInChI=1S/C33H37N9O4S.C29H31N9O2S.C28H29N9O2S.C20H26ClN5O3S.C13H12N4O/c1-19-22-16-35-42(25(22)13-24(36-19)23-15-34-7-6-26(23)44-5)28-14-27-29(30(37-28)39-8-10-45-11-9-39)38-31(47-27)40-17-21-12-20(40)18-41(21)32(43)46-33(2,3)4;1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2;1-16-19-14-31-37(22(19)10-21(32-16)20-13-29-4-3-23(20)38-2)25-11-24-26(27(33-25)35-5-7-39-8-6-35)34-28(40-24)36-15-17-9-18(36)12-30-17;1-20(2,3)29-19(27)26-11-12-8-13(26)10-25(12)18-23-16-14(30-18)9-15(21)22-17(16)24-4-6-28-7-5-24;1-8-9-7-15-17-12(9)5-11(16-8)10-6-14-4-3-13(10)18-2/h6-7,13-16,20-21H,8-12,17-18H2,1-5H3;4-5,11-14,18-19H,6-10,15-16H2,1-3H3;3-4,10-11,13-14,17-18,30H,5-9,12,15H2,1-2H3;9,12-13H,4-8,10-11H2,1-3H3;3-7H,1-2H3,(H,15,17)/t20-,21-;18-,19-;17-,18-;12-,13-;/m1111./s1
InChIKeyUGPWMWADEAPXTH-CZZZRGPBSA-N
XLogP17.28
TPSA462.49 Ų
H-Bond Donors2
H-Bond Acceptors49
Rotatable Bonds19
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.39
LogP ≤ 517.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine (CID 165075715) is tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1nc2c(N3CCOCC3)nc(Cl)cc2s1.COc1ccncc1-c1cc2[nH]ncc2c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C(=O)OC(C)(C)C)nc3c(N3CCOCC3)n2)c(C)n1.COc1ccncc1-c1cc2c(cnn2-c2cc3sc(N4C[C@H]5C[C@@H]4CN5C)nc3c(N3CCOCC3)n2)c(C)n1.
What is the InChIKey of tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is UGPWMWADEAPXTH-CZZZRGPBSA-N. The full InChI is InChI=1S/C33H37N9O4S.C29H31N9O2S.C28H29N9O2S.C20H26ClN5O3S.C13H12N4O/c1-19-22-16-35-42(25(22)13-24(36-19)23-15-34-7-6-26(23)44-5)28-14-27-29(30(37-28)39-8-10-45-11-9-39)38-31(47-27)40-17-21-12-20(40)18-41(21)32(43)46-33(2,3)4;1-17-20-14-31-38(23(20)11-22(32-17)21-13-30-5-4-24(21)39-3)26-12-25-27(28(33-26)36-6-8-40-9-7-36)34-29(41-25)37-16-18-10-19(37)15-35(18)2;1-16-19-14-31-37(22(19)10-21(32-16)20-13-29-4-3-23(20)38-2)25-11-24-26(27(33-25)35-5-7-39-8-6-35)34-28(40-24)36-15-17-9-18(36)12-30-17;1-20(2,3)29-19(27)26-11-12-8-13(26)10-25(12)18-23-16-14(30-18)9-15(21)22-17(16)24-4-6-28-7-5-24;1-8-9-7-15-17-12(9)5-11(16-8)10-6-14-4-3-13(10)18-2/h6-7,13-16,20-21H,8-12,17-18H2,1-5H3;4-5,11-14,18-19H,6-10,15-16H2,1-3H3;3-4,10-11,13-14,17-18,30H,5-9,12,15H2,1-2H3;9,12-13H,4-8,10-11H2,1-3H3;3-7H,1-2H3,(H,15,17)/t20-,21-;18-,19-;17-,18-;12-,13-;/m1111./s1.
What are the key properties of tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine?
tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 2473.39 g/mol, XLogP of 17.28, 19 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,4R)-5-(6-chloro-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-5-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-4-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine;6-(4-methoxy-3-pyridinyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine;4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-2-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1,3]thiazolo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 165075715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).